CAS: 91-48-5; (2E)-2,3-Diphenylprop-2-Enoic Acid

• 英文名称(2E)-2,3-Diphenylprop-2-Enoic Acid
• 中文名称(2e)-2,3-二苯基丙-2-烯酸
• IUPAC名称(E)-2,3-diphenylacrylic acid
• 其它别名α-苯基肉桂酸; Phenylcinnamicacid
• CAS编号91-48-5
• MFCD编号:MFCD00004252
• EINECS号:202-069-4
• 分子式:C15H12O2分子量:224.26
• 产品CID: 1951424
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BIDDLDNGQCUOJQ-SDNWHVSQSA-N
• InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点172-174 °C
• 沸点325.66 °C at 760 mmHg
• 闪点239.8 °C
• 密度1.198 g/cm3
• pKa:4.8 in 60% ethanol
• PSA:37.3
• LogP:3.3118
• 折射率1.6530 (估算)
• 蒸汽压4.35E-05 mmHg at 25 °C
• 敏感性Stable. Incompatible with strong oxidizing agents.
• 外观形态白色至几乎白色粉末至晶体
• 储存条件室温，干燥环境

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
• 防范说明P264-P280-P302+P352-P362+P364
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明24/25
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

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合成工艺路线路线简述

• 501-65-5 = 91-48-5
  反应条件:1.1 Reagents: Isopropanol,Manganese Catalysts: Bathocuproine,Dichloro[1,2-Di(Methoxy-Ko)Ethane]Nickel Solvents: Dimethylformamide; 36 H,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Ni-Catalyzed Regioselective Hydrocarboxylation Of Alkynes With Co2 By Using Simple Alcohols As Proton Sources
  作者:Wang,Xueqiang; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2015 卷标:137(28) 页码:8924-8927]
  
  501-65-5 = 91-48-5
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: Palladium Diacetate,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Toluene; 12 H,80 °C
  标题:Efficient Hydrocarboxylation Of Alkynes Based On Carbodiimide-Regulated In Situ Co Generation From Hcooh: An Alternative Indirect Utilization Of Co2
  作者:Xia,Shu-Mei; Et Al
  参考文献:Chinese Journal Of Catalysis 日期:2022 卷标:43(7) 页码:1642-1651]
  
  14447-41-7 = 91-48-5
  反应条件:1.1 Reagents: Methyl Iodide,Calcium Hydroxide Catalysts: Dicobalt Octacarbonyl Solvents: Methanol,1,4-Dioxane
  标题:Carbonylation Of Vinyl Halides With Carbonylcobalt
  作者:Miura,Masahiro; Et Al
  参考文献:Journal Of The Chemical Society 日期:1989 卷标:(1) 页码:73-6]
  
  = 91-48-5
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 5 Min,Rt1.2 Reagents: Water
  标题:Elimination Vs. Substitution In The Reaction Of 3-Stannyl Esters And 3-Stannyl Nitriles With Sodium Tert-Butoxide In Dmso
  作者:Chopa,Alicia B.; Et Al
  参考文献:Arkivoc (Gainesville 日期:2003 卷标:(10) 页码:382-389]
  
  501-65-5 = 91-48-5
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; 25 °C; 45 Min,60 °C; 60 °C -> 25 °C1.2 Reagents: Acetic Acid; Rt; 1 H,Rt1.3 Solvents: Dichloromethane; 1 H,25 °C1.4 25 °C; 10 H,25 °C1.5 Reagents: Dichloromethane Solvents: Acetone; 25 °C
  标题:Stereoselective Synthesis Of α,β-Unsaturated Carboxylic Acids From Alkynes Using The Fe(Co)5/t-Buok/acoh/ch2Cl2 Reagent System
  作者:Beesu,Mallesh; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2012 卷标:705 页码:30-33]
  
  886-38-4 = 91-48-5
  反应条件:1.1 Reagents: Water Catalysts: Cupric Acetate Solvents: Toluene; 2 - 18 H,110 °C1.2 Reagents: Water
  标题:Click Amidations,Esterifications And One-Pot Reactions Catalyzed By Cu Salts And Multimetal-Organic Frameworks (M-Mofs)
  作者:Greco,Rossella; Et Al
  参考文献:Molecular Catalysis 日期:2022 卷标:522]
  
  94025-75-9 = 91-48-5
  反应条件:1.1 Reagents: Triethylamine Solvents: Ethanol
  标题:Quantitative Aspects Of Radical Addition. I. The Addition Of Bromotrichloromethane To Cis- And Trans-Stilbene
  作者:Cadogan,J. I. G.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1962 卷标:4154 页码:4154-63]
  
  501-65-5 + 53558-55-7 = 91-48-5
  反应条件:1.1 Reagents: Chlorotrimethylsilane Solvents: Tetrahydrofuran
  标题:New Convenient One-Pot Methods Of Conversion Of Alkynes To Cyclobutenediones Or α,β-Unsaturated Carboxylic Acids Using Novel Reactive Iron Carbonyl Reagents
  作者:Periasamy,Mariappan; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(15) 页码:4930-4935]
  
  1370587-84-0 = 91-48-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water; 48 H,100 °C; 100 °C -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Alkyne And Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis Of Cyclopropenes,Cyclopropenones,And Azirines
  作者:Moerdyk,Jonathan P.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2012 卷标:134(14) 页码:6116-6119]
  
  645-49-8 = 91-48-5
  反应条件:1.1 Reagents: Dimethyl Sulfoxide Catalysts: Cobalt Iodide (Coi2),Eosin; 6 H,100 °C
  标题:Carboxylation Of Styrenes With Cbr4 And Dmso Via Cooperative Photoredox And Cobalt Catalysis
  作者:Song,Cai-Xia; Et Al
  参考文献:Rsc Advances 日期:2017 卷标:7(19) 页码:11233-11243]
  
  501-65-5 = 91-48-5
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Heptane; 24 H,25 °C1.2 Reagents: Hydrogen Ion Solvents: Water
  标题:Syntheses Using Alkyne-Derived Alkenyl- And Alkynylaluminum Compounds
  作者:Zweifel,George; Et Al
  参考文献:Organic Reactions (Hoboken 日期:1984 卷标:32]
  
  501-65-5 = 91-48-5
  反应条件:1.1 Reagents: 4,5-Bis(Diphenylphosphino)-9,9-Dimethyl-9H-Xanthene-2,7-Disulfonic Acid Catalysts: Palladium Diacetate Solvents: Water; 5 Min1.2 24 H,3 Bar,100 °C; 0 °C
  标题:Access To α,β-Unsaturated Carboxylic Acids Through Water-Soluble Palladium Catalyzed Hydroxycarbonylation Of Alkynes Using Water As The Solvent
  作者:Lv,Jinhe; Et Al
  参考文献:Catalysis Science & Technology 日期:2021 卷标:11(14) 页码:4708-4713]
  
  501-65-5 = 91-48-5
  反应条件:1.1 Reagents: Formic Acid Catalysts: Triphenylphosphine,Palladium Diacetate,1,4-Bis(Diphenylphosphino)Butane Solvents: 1,2-Dimethoxyethane
  标题:Palladium-Catalyzed Hydrocarboxylation Of Alkynes With Formic Acid
  作者:Zargarian,Davit; Et Al
  参考文献:Organometallics 日期:1993 卷标:12(3) 页码:712-24]
  
  501-65-5 = 91-48-5
  反应条件:1.1 Reagents: Formic-13C Acid Catalysts: Palladium Diacetate,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Toluene; 12 H,80 °C
  标题:Efficient Hydrocarboxylation Of Alkynes Based On Carbodiimide-Regulated In Situ Co Generation From Hcooh: An Alternative Indirect Utilization Of Co2
  作者:Xia,Shu-Mei; Et Al
  参考文献:Chinese Journal Of Catalysis 日期:2022 卷标:43(7) 页码:1642-1651]
  
  501-65-5 = 91-48-5
  反应条件:1.1 Catalysts: 1,3-Bis(Diphenylphosphino)Propane,Tris(Dibenzylideneacetone)Dipalladium,[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene]Chloroc... Solvents: Toluene; 15 Min,Rt1.2 Reagents: Acetic Anhydride; 36 H,100 °C
  标题:The Synergistic Copper/ppm Pd-Catalyzed Hydrocarboxylation Of Alkynes With Formic Acid As A Co Surrogate As Well As A Hydrogen Source: An Alternative Indirect Utilization Of Co2
  作者:Xia,Shu-Mei; Et Al
  参考文献:Green Chemistry 日期:2021 卷标:23(20) 页码:8089-8095]
  
  = 91-48-5
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 120 Min,Rt1.2 Reagents: Water
  标题:Elimination Vs. Substitution In The Reaction Of 3-Stannyl Esters And 3-Stannyl Nitriles With Sodium Tert-Butoxide In Dmso
  作者:Chopa,Alicia B.; Et Al
  参考文献:Arkivoc (Gainesville 日期:2003 卷标:(10) 页码:382-389]
  
  15022-93-2 = 91-48-5
  反应条件:1.1 Reagents: Methyl Iodide,Calcium Hydroxide Catalysts: Dicobalt Octacarbonyl Solvents: Methanol,1,4-Dioxane
  标题:Carbonylation Of Vinyl Halides With Carbonylcobalt
  作者:Miura,Masahiro; Et Al
  参考文献:Journal Of The Chemical Society 日期:1989 卷标:(1) 页码:73-6]
  
  886-38-4 = 91-48-5
  反应条件:1.1 Reagents: Bromobenzene,Cesium Carbonate,Water Catalysts: Tri-M-Tolylphosphine,Di-μ-Chlorobis[(1,2,5,6-η)-1,5-Cyclooctadiene]Dirhodium Solvents: 1,2-Dichloroethane; 18 H,130 °C
  标题:Strain-Release-Driven Phosphine And Rhodium Catalysis: Facile Synthesis Of Unsymmetrical Tetrasubstituted Alkenes
  作者:Zhang,Jing; Et Al
  参考文献:Acs Catalysis 日期:2023 卷标:13(15) 页码:10425-10434]
  
  501-65-5 + 15321-51-4 = 91-48-5
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; 25 °C; 0.5 H,25 °C; 25 °C -> 60 °C; 0.5 H,60 °C; 60 °C -> 25 °C1.2 Reagents: Acetic Acid; Rt; 1 H,Rt1.3 Solvents: Dichloromethane; 1 H,25 °C1.4 25 °C; 10 H,25 °C1.5 Reagents: Dichloromethane Solvents: Acetone; 25 °C
  标题:Stereoselective Synthesis Of α,β-Unsaturated Carboxylic Acids From Alkynes Using The Fe(Co)5/t-Buok/acoh/ch2Cl2 Reagent System
  作者:Beesu,Mallesh; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2012 卷标:705 页码:30-33]
  
  100-52-7 = 91-48-5
  反应条件:1.1 Reagents: Pyridine Solvents: Acetic Anhydride; 5 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Overnight,Acidified,Rt
  标题:Synthesis Of Combretastatin Analogs: Evaluation Of In Vitro Anticancer Activity And Molecular Docking Studies
  作者:Kumar,Sunil; Et Al
  参考文献:Medicinal Chemistry Research 日期:2012 卷标:21(11) 页码:3720-3729]
  
  100-52-7 = 91-48-5
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetic Anhydride; 24 H,Heated1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:C2-Symmetric Cinchona Alkaloid Derivatives: Versatile Catalysts For The Enantioselective C-C Bond Forming Conjugate Addition Of Nucleophiles To Simple α,β-Unsaturated Acyl Pyrazoles
  作者:Curran,Simon P.; Et Al
  参考文献:Chemistryselect 日期:2020 卷标:5(48) 页码:15190-15194]
  
  100-52-7 = 91-48-5
  反应条件:1.1 Reagents: Acetic Anhydride,Triethylamine; 24 H,110 °C
  标题:Synthesis Of Alpha-Pyrones And Chromen-2-Ones By Transition-Metal Catalyzed Annulations Of Sulfoxonium And Iodonium Ylides With Cis-Stilbene Acids
  作者:John,Stephy Elza; Et Al
  参考文献:New Journal Of Chemistry 日期:2022 卷标:46(41) 页码:19722-19730]
  
  100-52-7 + 38654-91-0 = 91-48-5
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane1.2 Solvents: Tetrahydrofuran1.3 Reagents: Water
  标题:A Simple And Efficient Route To 2-Alkyl-2-Alkenoic Acids And 2-Phenyl-2-Alkenoic Acids By The Horner Synthesis. Application To The Stereoselective Synthesis Of The Pheromone Manicone
  作者:Coutrot,Philippe; Et Al
  参考文献:Synthesis 日期:1986 卷标:(9) 页码:790-2]
  
  103-30-0 = 91-48-5
  反应条件:1.1 Reagents: Dimethyl Sulfoxide Catalysts: Cobalt Iodide (Coi2),Eosin; 6 H,100 °C
  标题:Carboxylation Of Styrenes With Cbr4 And Dmso Via Cooperative Photoredox And Cobalt Catalysis
  作者:Song,Cai-Xia; Et Al
  参考文献:Rsc Advances 日期:2017 卷标:7(19) 页码:11233-11243

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902500000-苯乙烯
  2902600000-乙苯
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• ➥ 防范代码详解
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